N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide

Systemtic Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3-oxidanylidene-4H-1,4-benzoxazine-7-carboxamide Openeye Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide IUPAC Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide Traditional Name: 3-keto-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-4H-1,4-benzoxazine-7-carboxamide Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)NC(=O)CO4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)NC(=O)CO4

InChI

InChI=1S/C19H22N4O3S/c1-12-3-2-6-23(8-12)9-14-11-27-19(20-14)22-18(25)13-4-5-15-16(7-13)26-10-17(24)21-15/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H,21,24)(H,20,22,25)/p+1/t12-/m0/s1